SCHEMBL2347717

SCHEMBL2347717

O=C1OC(=O)c2c3ccccc3cc3c(Cl)ccc1c23

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.57
CES1 P23141 1/20 0.40
DNMT1 P26358 1/20 0.36
CYP1A2 P05177 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
ERCC1 P07992 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
FEN1 P39748 1/20 0.36
ERCC4 Q92889 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX5 P09917 1/20 0.35
CYP2A6 P11509 2/20 0.35
GPR84 Q9NQS5 1/20 0.35
DHFR P00374 1/20 0.35
ALOX15 P16050 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30629778 1.00 TYMS (0.57) TYMSCES1DNMT1CYP1A2TDP1
SCHEMBL26507159 0.82 TYMS (0.41) TYMSCES1DNMT1CYP1A2TDP1
SCHEMBL2353411 0.81 CES1 (0.61) TYMSCES1DNMT1CYP1A2TDP1
SCHEMBL6389286 0.78 TYMS (0.41) TYMSCES1DNMT1CYP1A2KDM4E
SCHEMBL580216 0.78 CES1 (0.65) TYMSCES1DNMT1CYP1A2TDP1
SCHEMBL4958869 0.76 ALOX5 (0.43) TYMSCES1DNMT1TDP1TSHR
SCHEMBL18676837 0.75 KDM4E (0.60) TYMSCES1CYP1A2TDP1POLB
SCHEMBL4960932 0.75 TYMS (0.40) TYMSCES1DNMT1CYP1A2TSHR
SCHEMBL29478287 0.73 TYMS (1.00) TYMSCYP1A2TDP1POLBERCC1
SCHEMBL29486055 0.73 TYMS (1.00) TYMSCYP1A2TDP1POLBERCC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196958-A2 TUMOR AND CANCER TARGETING COMPOUNDS ONCOLINX PHARMACEUTICALS (US) 2023-10-12 WO disclosed
EP-2069308-B1 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SER (US) 2017-03-29 EP disclosed
EP-2069308-B1 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS GOVERNMENT OF THE UNITED STATES OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SER (US) 2017-03-29 EP disclosed
US-8008316-B2 Azonafide derived tumor and cancer targeting compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-08-30 US disclosed
US-8008316-B2 Azonafide derived tumor and cancer targeting compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-08-30 US disclosed
US-8008316-B2 Azonafide derived tumor and cancer targeting compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-08-30 US disclosed
US-20100120817-A1 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS Office of Technology Transfer, NIH (US) 2010-05-13 US disclosed
US-20100120817-A1 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS Office of Technology Transfer, NIH (US) 2010-05-13 US disclosed
US-20100120817-A1 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS Office of Technology Transfer, NIH (US) 2010-05-13 US disclosed
WO-2008033891-A2 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-03-20 WO disclosed
US-5635506-A ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-03 US disclosed
EP-0660824-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1995-07-05 EP disclosed
WO-1994006771-A9 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS 1994-06-09 WO disclosed
WO-1994006771-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-03-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120817-A1 AZONAFIDE DERIVED TUMOR AND CANCER TARGETING COMPOUNDS CDC73, MKI67, TP53 TYMS 2258/4885CES1 1249/4885DNMT1 711/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.